1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide

C17H21N5O4S — CID 24563945

IUPAC1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccccn3)CC2)cc1C(N)=O
InChIInChI=1S/C17H21N5O4S/c1-21-11-13(10-14(21)16(18)23)27(25,26)22-8-5-12(6-9-22)17(24)20-15-4-2-3-7-19-15/h2-4,7,10-12H,5-6,8-9H2,1H3,(H2,18,23)(H,19,20,24)
InChIKeyHSVJBUDHLHGPOM-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.56
Rot. Bonds5

About 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide

1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 24563945) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID24563945
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC Name1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccccn3)CC2)cc1C(N)=O
InChIInChI=1S/C17H21N5O4S/c1-21-11-13(10-14(21)16(18)23)27(25,26)22-8-5-12(6-9-22)17(24)20-15-4-2-3-7-19-15/h2-4,7,10-12H,5-6,8-9H2,1H3,(H2,18,23)(H,19,20,24)
InChIKeyHSVJBUDHLHGPOM-UHFFFAOYSA-N
XLogP0.56
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 43036190
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 24562977
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 24563915
N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
CID 25487798
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 24667159
N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
CID 53103203
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 30860669
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24562992
1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24658235
N-pyridin-2-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 25332101
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63032539
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 42940236

Frequently Asked Questions

What is the IUPAC name of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide (CID 24563945) is 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide is Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccccn3)CC2)cc1C(N)=O.
What is the InChIKey of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is HSVJBUDHLHGPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-21-11-13(10-14(21)16(18)23)27(25,26)22-8-5-12(6-9-22)17(24)20-15-4-2-3-7-19-15/h2-4,7,10-12H,5-6,8-9H2,1H3,(H2,18,23)(H,19,20,24).
What are the key properties of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide?
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 24563945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).